3-(2-oxidanyl-1-propoxy-octan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-oxidanyl-1-propoxy-octan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[1-(2-hydroxy-3-propoxy-propyl)pentyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[1-(2-hydroxy-3-propoxy-propyl)pentyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(COCCC)O)C1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC(COCCC)O)C1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2S/c1-3-5-9-15(13-17(23)14-24-12-4-2)18-20-21-19(25)22(18)16-10-7-6-8-11-16/h6-8,10-11,15,17,23H,3-5,9,12-14H2,1-2H3,(H,21,25)